Probing the geometry of copper and silver adatoms on magnetite: quantitative experiment versus theory

Matthias Meier; Zdenek Jakub; Jan Balajka; Jan Hulva; Roland Bliem; Pardeep K. Thakur; Tien-Lin Lee; Cesare Franchini; Michael Schmid; Ulrike Diebold; Francesco Allegretti; David A. Duncan; Gareth S. Parkinson

doi:10.1039/c7nr07319d

Probing the geometry of copper and silver adatoms on magnetite: quantitative experiment versus theory

Matthias Meier
, Zdenek Jakub
, Jan Balajka
, Jan Hulva
, Roland Bliem
, Pardeep K. Thakur
, Tien-Lin Lee
, Cesare Franchini
, Michael Schmid
, Ulrike Diebold
, Francesco Allegretti
, David A. Duncan (Corresponding author)
, Gareth S. Parkinson

Computational Materials Physics

Publications: Contribution to journal › Article › Peer Reviewed

Original language	English
Pages (from-to)	2226-2230
Number of pages	5
Journal	Nanoscale
Volume	10
Issue number	5
DOIs	https://doi.org/10.1039/c7nr07319d
Publication status	Published - 7 Feb 2018

Funding

The authors gratefully acknowledge funding through projects from the Austrian Science Fund FWF (START-Prize Y 847-N20 (MM, JH & GSP); Special Research Project 'Functional Surfaces and Interfaces', FOXSI F4505-N16 and F4507-N16 (MS & UD)), the European Research Council (UD & JB: ERC-2011-ADG_20110209 Advanced Grant 'OxideSurfaces'), and the Doctoral College TU-D (ZJ) and Solids4fun (W1243: RB). The computational results presented have been achieved using the Vienna Scientific Cluster (VSC). We also thank Diamond Light Source for the award of beam time.

Austrian Fields of Science 2012

103018 Materials physics

Keywords

SINGLE-ATOM CATALYSIS
WATER-GAS SHIFT
GENERALIZED GRADIENT APPROXIMATION
CO OXIDATION
HETEROGENEOUS CATALYSIS
EXACT EXCHANGE
X-RAY
SURFACE
PT-1/FEOX
METALS

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10.1039/c7nr07319dLicence: CC BY 3.0

Cite this

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title = "Probing the geometry of copper and silver adatoms on magnetite: quantitative experiment versus theory",

keywords = "SINGLE-ATOM CATALYSIS, WATER-GAS SHIFT, GENERALIZED GRADIENT APPROXIMATION, CO OXIDATION, HETEROGENEOUS CATALYSIS, EXACT EXCHANGE, X-RAY, SURFACE, PT-1/FEOX, METALS",

author = "Matthias Meier and Zdenek Jakub and Jan Balajka and Jan Hulva and Roland Bliem and Thakur, \{Pardeep K.\} and Tien-Lin Lee and Cesare Franchini and Michael Schmid and Ulrike Diebold and Francesco Allegretti and Duncan, \{David A.\} and Parkinson, \{Gareth S.\}",

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AU - Meier, Matthias

AU - Jakub, Zdenek

AU - Balajka, Jan

AU - Hulva, Jan

AU - Bliem, Roland

AU - Thakur, Pardeep K.

AU - Lee, Tien-Lin

AU - Franchini, Cesare

AU - Schmid, Michael

AU - Diebold, Ulrike

AU - Allegretti, Francesco

AU - Duncan, David A.

AU - Parkinson, Gareth S.

PY - 2018/2/7

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KW - SINGLE-ATOM CATALYSIS

KW - WATER-GAS SHIFT

KW - GENERALIZED GRADIENT APPROXIMATION

KW - CO OXIDATION

KW - HETEROGENEOUS CATALYSIS

KW - EXACT EXCHANGE

KW - X-RAY

KW - SURFACE

KW - PT-1/FEOX

KW - METALS

UR - https://www.scopus.com/pages/publications/85041455988

U2 - 10.1039/c7nr07319d

DO - 10.1039/c7nr07319d

M3 - Article

SN - 2040-3364

VL - 10

SP - 2226

EP - 2230

JO - Nanoscale

JF - Nanoscale

IS - 5

ER -

Probing the geometry of copper and silver adatoms on magnetite: quantitative experiment versus theory

Funding

Austrian Fields of Science 2012

Keywords

Access to Document

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